[(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol

C15H24O2 — CID 102374060

IUPAC[(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol
SMILESC/C1=C/CC/C(CO)=C\[C@H]2[C@@H](CC1)[C@]2(C)CO
InChIInChI=1S/C15H24O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4-,12-8+/t13-,14+,15+/m1/s1
InChIKeyDCQFUTANYUEHLR-TZCYELPTSA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds2

About [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol

[(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol (PubChem CID 102374060) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol.

Molecular Properties

Compound Name[(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol
PubChem CID102374060
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol
SMILESC/C1=C/CC/C(CO)=C\[C@H]2[C@@H](CC1)[C@]2(C)CO
InChIInChI=1S/C15H24O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4-,12-8+/t13-,14+,15+/m1/s1
InChIKeyDCQFUTANYUEHLR-TZCYELPTSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol?
The IUPAC name of [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol (CID 102374060) is [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol.
What is the SMILES notation for [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol?
The canonical SMILES for [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol is C/C1=C/CC/C(CO)=C\[C@H]2[C@@H](CC1)[C@]2(C)CO.
What is the InChIKey of [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol?
The InChIKey is DCQFUTANYUEHLR-TZCYELPTSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4-,12-8+/t13-,14+,15+/m1/s1.
What are the key properties of [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol?
[(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2E,6Z,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol is sourced from PubChem (CID 102374060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).